1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole

C61H93N19O2S2 — CID 158407664

About 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole

1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole (PubChem CID 158407664) has the molecular formula C61H93N19O2S2 and a molecular weight of 1188.68 g/mol. Its IUPAC name is 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole
• PubChem CID: 158407664
• Molecular Formula: C61H93N19O2S2
• Molecular Weight: 1188.68 g/mol
• Exact Mass: 1187.72
• IUPAC Name: 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole
• SMILES: CC1=CCC(C)=N1.CC1=NC(C)=NC1.Cc1c[nH]c(C)c1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1ccc(C)[nH]1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/3C6H9N.4C5H8N2.2C5H7NO.C5H7NS.C4H7N3.C4H6N2S/c1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-5-3-7(2)6-4;1-3-5-4(2)7-6-3/h3-4,7H,1-2H3;3H,4H2,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;3H2,1-2H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1-2H3
• InChIKey: GYXCCLXRUHBWIB-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 254.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.68
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole (CID 158407664) is 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole.

What is the SMILES notation for 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The canonical SMILES for 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole is CC1=CCC(C)=N1.CC1=NC(C)=NC1.Cc1c[nH]c(C)c1.Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1ccc(C)[nH]1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1ncn(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

The InChIKey is GYXCCLXRUHBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9N.4C5H8N2.2C5H7NO.C5H7NS.C4H7N3.C4H6N2S/c1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5;1-5-3-7(2)4-6-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-5-3-7(2)6-4;1-3-5-4(2)7-6-3/h3-4,7H,1-2H3;3H,4H2,1-2H3;3-4,7H,1-2H3;2*3-4H,1-2H3;3H2,1-2H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1-2H3.

What are the key properties of 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole?

1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole has a molecular weight of 1188.68 g/mol, XLogP of 14.00, 0 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;2,5-dimethyl-4H-imidazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;3,5-dimethyl-1H-pyrazole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-3H-pyrrole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 158407664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).